BDBM80578 (4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-[2-(3-pyridinyl)ethylamino]-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester::(4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-[2-(3-pyridyl)ethylamino]-5,6-dihydro-4H-pyrimidine-5-carboxylic acid methyl ester::MLS000829787::SMR000671993::cid_24789263::methyl (4R,5R,6R)-1-ethyl-6-methyl-4-phenyl-2-(2-pyridin-3-ylethylamino)-5,6-dihydro-4H-pyrimidine-5-carboxylate

SMILES CCN1[C@H](C)[C@H]([C@@H](N=C1NCCc1cccnc1)c1ccccc1)C(=O)OC

InChI Key InChIKey=HQMPZXHJADPLRQ-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 80578   

TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80578(MLS000829787 | (4R,5R,6R)-1-ethyl-6-methyl-4-pheny...)
Affinity DataIC50: 4.22E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80578(MLS000829787 | (4R,5R,6R)-1-ethyl-6-methyl-4-pheny...)
Affinity DataIC50: 6.37E+3nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetHigh affinity choline transporter 1(Human)
Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay
LigandPNGBDBM80578(MLS000829787 | (4R,5R,6R)-1-ethyl-6-methyl-4-pheny...)
Affinity DataEC50:  1.46E+4nMAssay Description:Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay